CID 84663658

2-chloro-5-(1,1-difluoroethyl)aniline

Structural Information

Molecular Formula
C8H8ClF2N
SMILES
CC(C1=CC(=C(C=C1)Cl)N)(F)F
InChI
InChI=1S/C8H8ClF2N/c1-8(10,11)5-2-3-6(9)7(12)4-5/h2-4H,12H2,1H3
InChIKey
PVRAJKMEAZJTMM-UHFFFAOYSA-N
Compound name
2-chloro-5-(1,1-difluoroethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.03133 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.03861 134.6
[M+Na]+ 214.02055 144.8
[M-H]- 190.02405 135.8
[M+NH4]+ 209.06515 155.1
[M+K]+ 229.99449 140.3
[M+H-H2O]+ 174.02859 128.8
[M+HCOO]- 236.02953 151.7
[M+CH3COO]- 250.04518 184.4
[M+Na-2H]- 212.00600 140.2
[M]+ 191.03078 132.4
[M]- 191.03188 132.4
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

No patent data available for this compound.