CID 10103979

2-chloro-4-fluoro-5-nitrotoluene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
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 129.0
[M+Na]+ 211.98850 143.8
[M+NH4]+ 207.03310 137.8
[M+K]+ 227.96244 139.7
[M-H]- 187.99200 131.5
[M+Na-2H]- 209.97395 136.0
[M]+ 188.99873 132.0
[M]- 188.99983 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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