CID 9925543

4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylaniline

Structural Information

Molecular Formula
C10H8F7N
SMILES
CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)N
InChI
InChI=1S/C10H8F7N/c1-5-4-6(2-3-7(5)18)8(11,9(12,13)14)10(15,16)17/h2-4H,18H2,1H3
InChIKey
QVAUOEHPYOFAQA-UHFFFAOYSA-N
Compound name
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

218
Patents

275.0545 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06178 152.5
[M+Na]+ 298.04372 162.3
[M-H]- 274.04722 147.5
[M+NH4]+ 293.08832 168.4
[M+K]+ 314.01766 158.1
[M+H-H2O]+ 258.05176 141.9
[M+HCOO]- 320.05270 164.7
[M+CH3COO]- 334.06835 200.8
[M+Na-2H]- 296.02917 155.9
[M]+ 275.05395 141.0
[M]- 275.05505 141.0
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