CID 55264389

1-(chloromethyl)-2-fluoro-4-nitrobenzene

Structural Information

Molecular Formula
C7H5ClFNO2
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)CCl
InChI
InChI=1S/C7H5ClFNO2/c8-4-5-1-2-6(10(11)12)3-7(5)9/h1-3H,4H2
InChIKey
HIDSJCQJOQDPEO-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-2-fluoro-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

188.99928 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.006556 132.5
[M+Na]+ 211.988498 142.0
[M-H]- 187.992004 135.1
[M+NH4]+ 207.033103 152.5
[M+K]+ 227.962438 134.7
[M+H-H2O]+ 171.996540 132.0
[M+HCOO]- 233.997481 153.2
[M+CH3COO]- 248.013131 175.5
[M+Na-2H]- 209.973946 139.9
[M]+ 188.99873142 132.3
[M]- 188.99982858 132.3
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