CID 2733266

2,5-difluorophenyl isocyanate

Structural Information

Molecular Formula
C7H3F2NO
SMILES
C1=CC(=C(C=C1F)N=C=O)F
InChI
InChI=1S/C7H3F2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H
InChIKey
SNHIIFOXCRYGGY-UHFFFAOYSA-N
Compound name
1,4-difluoro-2-isocyanatobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

512
Patents

155.01826 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02554 129.1
[M+Na]+ 178.00748 140.8
[M+NH4]+ 173.05208 136.5
[M+K]+ 193.98142 134.2
[M-H]- 154.01098 129.1
[M+Na-2H]- 175.99293 135.7
[M]+ 155.01771 130.5
[M]- 155.01881 130.5
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