CID 2759032

363179-58-2

Structural Information

Molecular Formula
C8H6FNS
SMILES
CC1=C(C=CC=C1F)N=C=S
InChI
InChI=1S/C8H6FNS/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3
InChIKey
YZQYVLUFNMYFLM-UHFFFAOYSA-N
Compound name
1-fluoro-3-isothiocyanato-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

167.0205 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02778 132.8
[M+Na]+ 190.00972 145.5
[M+NH4]+ 185.05432 142.0
[M+K]+ 205.98366 136.0
[M-H]- 166.01322 135.3
[M+Na-2H]- 187.99517 139.7
[M]+ 167.01995 135.7
[M]- 167.02105 135.7
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