CID 3001409

Benzenecarbothioamide, n-(4-bromophenyl)-4-methyl-

Structural Information

Molecular Formula
C14H12BrNS
SMILES
CC1=CC=C(C=C1)C(=S)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C14H12BrNS/c1-10-2-4-11(5-3-10)14(17)16-13-8-6-12(15)7-9-13/h2-9H,1H3,(H,16,17)
InChIKey
XOPIEKPLDSEEDY-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-4-methylbenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.98737 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.99465 152.4
[M+Na]+ 327.97659 163.6
[M-H]- 303.98009 161.9
[M+NH4]+ 323.02119 171.6
[M+K]+ 343.95053 150.0
[M+H-H2O]+ 287.98463 151.7
[M+HCOO]- 349.98557 169.7
[M+CH3COO]- 364.00122 201.3
[M+Na-2H]- 325.96204 157.2
[M]+ 304.98682 171.1
[M]- 304.98792 171.1
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

No patent data available for this compound.