CID 16218031

871231-43-5

Structural Information

Molecular Formula
C7H7BF3S
SMILES
[B-](C1=CC=C(C=C1)SC)(F)(F)F
InChI
InChI=1S/C7H7BF3S/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3/q-1
InChIKey
OPOPIZAXJHXUDD-UHFFFAOYSA-N
Compound name
trifluoro-(4-methylsulfanylphenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.03136 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.038636 129.2
[M+Na]+ 214.020578 138.2
[M-H]- 190.024084 127.8
[M+NH4]+ 209.065183 149.0
[M+K]+ 229.994518 134.8
[M+H-H2O]+ 174.028620 123.9
[M+HCOO]- 236.029561 143.6
[M+CH3COO]- 250.045211 178.6
[M+Na-2H]- 212.006026 132.0
[M]+ 191.03081142 124.8
[M]- 191.03190858 124.8
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.