CID 134690737

2059934-12-0

Structural Information

Molecular Formula
C7H7F2NOS
SMILES
CS(=N)(=O)C1=C(C=CC(=C1)F)F
InChI
InChI=1S/C7H7F2NOS/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4,10H,1H3
InChIKey
NCVMYQKRTYFNSP-UHFFFAOYSA-N
Compound name
(2,5-difluorophenyl)-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.02164 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.02892 131.8
[M+Na]+ 214.01086 142.1
[M-H]- 190.01436 133.9
[M+NH4]+ 209.05546 152.1
[M+K]+ 229.98480 138.2
[M+H-H2O]+ 174.01890 124.9
[M+HCOO]- 236.01984 149.5
[M+CH3COO]- 250.03549 182.3
[M+Na-2H]- 211.99631 136.2
[M]+ 191.02109 130.4
[M]- 191.02219 130.4
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

No patent data available for this compound.