CID 2757004

362690-56-0

Structural Information

Molecular Formula
C7H3BrFNS
SMILES
C1=CC(=C(C=C1N=C=S)F)Br
InChI
InChI=1S/C7H3BrFNS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
InChIKey
MKIPLYFZXZBXGO-UHFFFAOYSA-N
Compound name
1-bromo-2-fluoro-4-isothiocyanatobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

230.91536 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.92264 129.2
[M+Na]+ 253.90458 132.7
[M+NH4]+ 248.94918 134.7
[M+K]+ 269.87852 130.4
[M-H]- 229.90808 130.1
[M+Na-2H]- 251.89003 133.6
[M]+ 230.91481 129.1
[M]- 230.91591 129.1
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