CID 58541110

1552282-03-7

Structural Information

Molecular Formula
C9H11F2N
SMILES
CC(C1=CC=CC(=C1)CN)(F)F
InChI
InChI=1S/C9H11F2N/c1-9(10,11)8-4-2-3-7(5-8)6-12/h2-5H,6,12H2,1H3
InChIKey
MKCZZRQZQCQBDJ-UHFFFAOYSA-N
Compound name
[3-(1,1-difluoroethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.08595 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.093226 133.5
[M+Na]+ 194.075168 141.6
[M-H]- 170.078674 134.3
[M+NH4]+ 189.119773 153.7
[M+K]+ 210.049108 138.8
[M+H-H2O]+ 154.083210 126.6
[M+HCOO]- 216.084151 154.8
[M+CH3COO]- 230.099801 182.4
[M+Na-2H]- 192.060616 139.7
[M]+ 171.08540142 129.2
[M]- 171.08649858 129.2
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