CID 55283283

1-(2,6-difluoro-3-methylphenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H11F2N
SMILES
CC1=C(C(=C(C=C1)F)C(C)N)F
InChI
InChI=1S/C9H11F2N/c1-5-3-4-7(10)8(6(2)12)9(5)11/h3-4,6H,12H2,1-2H3
InChIKey
BQMQHQLWIVKOLZ-UHFFFAOYSA-N
Compound name
1-(2,6-difluoro-3-methylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08595 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.093226 133.1
[M+Na]+ 194.075168 142.3
[M-H]- 170.078674 134.5
[M+NH4]+ 189.119773 153.7
[M+K]+ 210.049108 139.7
[M+H-H2O]+ 154.083210 126.1
[M+HCOO]- 216.084151 154.9
[M+CH3COO]- 230.099801 185.3
[M+Na-2H]- 192.060616 136.0
[M]+ 171.08540142 129.4
[M]- 171.08649858 129.4
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.