CID 632384

2,2-bis(3-amino-4-methylphenyl)hexafluoropropane

Structural Information

Molecular Formula
C17H16F6N2
SMILES
CC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)C)N)(C(F)(F)F)C(F)(F)F)N
InChI
InChI=1S/C17H16F6N2/c1-9-3-5-11(7-13(9)24)15(16(18,19)20,17(21,22)23)12-6-4-10(2)14(25)8-12/h3-8H,24-25H2,1-2H3
InChIKey
HJSYPLCSZPEDCQ-UHFFFAOYSA-N
Compound name
5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1858
Patents

362.12177 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12905 180.7
[M+Na]+ 385.11099 189.8
[M-H]- 361.11449 179.5
[M+NH4]+ 380.15559 192.7
[M+K]+ 401.08493 183.5
[M+H-H2O]+ 345.11903 168.8
[M+HCOO]- 407.11997 193.3
[M+CH3COO]- 421.13562 221.0
[M+Na-2H]- 383.09644 181.7
[M]+ 362.12122 170.0
[M]- 362.12232 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe