CID 3456937

2'-nitro-para-formotoluidide

Structural Information

Molecular Formula
C8H8N2O3
SMILES
CC1=CC(=C(C=C1)NC=O)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O3/c1-6-2-3-7(9-5-11)8(4-6)10(12)13/h2-5H,1H3,(H,9,11)
InChIKey
QLNJWWYNJCJWFQ-UHFFFAOYSA-N
Compound name
N-(4-methyl-2-nitrophenyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

180.0535 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 133.4
[M+Na]+ 203.04272 141.3
[M-H]- 179.04622 137.7
[M+NH4]+ 198.08732 152.6
[M+K]+ 219.01666 135.7
[M+H-H2O]+ 163.05076 132.2
[M+HCOO]- 225.05170 160.9
[M+CH3COO]- 239.06735 177.6
[M+Na-2H]- 201.02817 142.0
[M]+ 180.05295 132.6
[M]- 180.05405 132.6
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

patents stripe