CID 82504103

1-(5-fluoro-2-methyl-3-nitrophenyl)methanaminehydrochloride

Structural Information

Molecular Formula
C8H9FN2O2
SMILES
CC1=C(C=C(C=C1[N+](=O)[O-])F)CN
InChI
InChI=1S/C8H9FN2O2/c1-5-6(4-10)2-7(9)3-8(5)11(12)13/h2-3H,4,10H2,1H3
InChIKey
RGTJHWPHEUAGRK-UHFFFAOYSA-N
Compound name
(5-fluoro-2-methyl-3-nitrophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0648 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07208 133.9
[M+Na]+ 207.05402 142.6
[M-H]- 183.05752 136.6
[M+NH4]+ 202.09862 153.0
[M+K]+ 223.02796 136.3
[M+H-H2O]+ 167.06206 132.1
[M+HCOO]- 229.06300 159.3
[M+CH3COO]- 243.07865 179.7
[M+Na-2H]- 205.03947 140.1
[M]+ 184.06425 130.7
[M]- 184.06535 130.7
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.