CID 11217718

1-chloro-2-fluoro-4-methyl-5-nitrobenzene

Structural Information

Molecular Formula
C7H5ClFNO2
SMILES
CC1=CC(=C(C=C1[N+](=O)[O-])Cl)F
InChI
InChI=1S/C7H5ClFNO2/c1-4-2-6(9)5(8)3-7(4)10(11)12/h2-3H,1H3
InChIKey
WZEMBGOGKOKTDW-UHFFFAOYSA-N
Compound name
1-chloro-2-fluoro-4-methyl-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

188.99928 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.006556 131.7
[M+Na]+ 211.988498 142.1
[M-H]- 187.992004 134.8
[M+NH4]+ 207.033103 152.0
[M+K]+ 227.962438 134.9
[M+H-H2O]+ 171.996540 131.6
[M+HCOO]- 233.997481 152.5
[M+CH3COO]- 248.013131 176.6
[M+Na-2H]- 209.973946 138.5
[M]+ 188.99873142 131.9
[M]- 188.99982858 131.9
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