CID 91927013

2-(2-bromo-4-methylphenyl)-2,2-difluoroethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H10BrF2N
SMILES
CC1=CC(=C(C=C1)C(CN)(F)F)Br
InChI
InChI=1S/C9H10BrF2N/c1-6-2-3-7(8(10)4-6)9(11,12)5-13/h2-4H,5,13H2,1H3
InChIKey
NOVULHYDQZXQFQ-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.99648 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.00376 148.1
[M+Na]+ 271.98570 160.0
[M-H]- 247.98920 151.7
[M+NH4]+ 267.03030 168.8
[M+K]+ 287.95964 147.7
[M+H-H2O]+ 231.99374 146.5
[M+HCOO]- 293.99468 166.7
[M+CH3COO]- 308.01033 193.4
[M+Na-2H]- 269.97115 153.9
[M]+ 248.99593 162.6
[M]- 248.99703 162.6
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.