CID 2773699

2-chloro-4-fluoro-6-nitrotoluene

Structural Information

Molecular Formula
C7H5ClFNO2
SMILES
CC1=C(C=C(C=C1Cl)F)[N+](=O)[O-]
InChI
InChI=1S/C7H5ClFNO2/c1-4-6(8)2-5(9)3-7(4)10(11)12/h2-3H,1H3
InChIKey
ZUWXKAQJFDVCDD-UHFFFAOYSA-N
Compound name
1-chloro-5-fluoro-2-methyl-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

188.99928 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.00656 131.7
[M+Na]+ 211.98850 142.1
[M-H]- 187.99200 134.8
[M+NH4]+ 207.03310 152.0
[M+K]+ 227.96244 134.9
[M+H-H2O]+ 171.99654 131.6
[M+HCOO]- 233.99748 152.5
[M+CH3COO]- 248.01313 176.6
[M+Na-2H]- 209.97395 138.5
[M]+ 188.99873 131.9
[M]- 188.99983 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