CID 9882426

4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-n,n-dimethylaniline

Structural Information

Molecular Formula
C11H10F7N
SMILES
CN(C)C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C11H10F7N/c1-19(2)8-5-3-7(4-6-8)9(12,10(13,14)15)11(16,17)18/h3-6H,1-2H3
InChIKey
XMOIHXFHBPQEDL-UHFFFAOYSA-N
Compound name
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

289.07016 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07744 156.1
[M+Na]+ 312.05938 164.8
[M-H]- 288.06288 152.6
[M+NH4]+ 307.10398 172.1
[M+K]+ 328.03332 162.1
[M+H-H2O]+ 272.06742 144.8
[M+HCOO]- 334.06836 169.1
[M+CH3COO]- 348.08401 206.7
[M+Na-2H]- 310.04483 160.1
[M]+ 289.06961 146.9
[M]- 289.07071 146.9
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