CID 13641

N-nitroso-n-methyl-4-fluoroaniline

Structural Information

Molecular Formula
C7H7FN2O
SMILES
CN(C1=CC=C(C=C1)F)N=O
InChI
InChI=1S/C7H7FN2O/c1-10(9-11)7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey
GFIXPWIVPHYTAJ-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8
Patents

154.05424 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06152 126.4
[M+Na]+ 177.04346 134.7
[M-H]- 153.04696 132.0
[M+NH4]+ 172.08806 148.2
[M+K]+ 193.01740 135.0
[M+H-H2O]+ 137.05150 119.0
[M+HCOO]- 199.05244 155.0
[M+CH3COO]- 213.06809 186.1
[M+Na-2H]- 175.02891 134.7
[M]+ 154.05369 127.2
[M]- 154.05479 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe