CID 3708336

29270-54-0

Structural Information

Molecular Formula
C6H3F2NO
SMILES
C1=CC(=C(C(=C1)F)N=O)F
InChI
InChI=1S/C6H3F2NO/c7-4-2-1-3-5(8)6(4)9-10/h1-3H
InChIKey
DFMUTCMGZZSVRR-UHFFFAOYSA-N
Compound name
1,3-difluoro-2-nitrosobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

143.01826 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02554 119.4
[M+Na]+ 166.00748 130.0
[M-H]- 142.01098 122.9
[M+NH4]+ 161.05208 141.8
[M+K]+ 181.98142 128.8
[M+H-H2O]+ 126.01552 112.3
[M+HCOO]- 188.01646 145.9
[M+CH3COO]- 202.03211 178.6
[M+Na-2H]- 163.99293 127.6
[M]+ 143.01771 118.6
[M]- 143.01881 118.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe