CID 19841592

1340588-46-6

Structural Information

Molecular Formula
C8H8F3N3O
SMILES
C1=CC(=CC=C1N=C(N)N)OC(F)(F)F
InChI
InChI=1S/C8H8F3N3O/c9-8(10,11)15-6-3-1-5(2-4-6)14-7(12)13/h1-4H,(H4,12,13,14)
InChIKey
RDOHBENOPULTBD-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethoxy)phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

219.06195 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.069226 141.3
[M+Na]+ 242.051168 148.7
[M-H]- 218.054674 141.8
[M+NH4]+ 237.095773 159.0
[M+K]+ 258.025108 146.6
[M+H-H2O]+ 202.059210 132.2
[M+HCOO]- 264.060151 164.2
[M+CH3COO]- 278.075801 194.9
[M+Na-2H]- 240.036616 146.2
[M]+ 219.06140142 134.7
[M]- 219.06249858 134.7
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