CID 138985776

2-ethynyl-1-methoxy-4-trifluoromethyl-benzene

Structural Information

Molecular Formula
C10H7F3O
SMILES
COC1=C(C=C(C=C1)C(F)(F)F)C#C
InChI
InChI=1S/C10H7F3O/c1-3-7-6-8(10(11,12)13)4-5-9(7)14-2/h1,4-6H,2H3
InChIKey
HTHAKUXTQPWHGV-UHFFFAOYSA-N
Compound name
2-ethynyl-1-methoxy-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.0449 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05218 146.9
[M+Na]+ 223.03412 157.6
[M+NH4]+ 218.07872 149.7
[M+K]+ 239.00806 148.3
[M-H]- 199.03762 136.6
[M+Na-2H]- 221.01957 148.5
[M]+ 200.04435 144.7
[M]- 200.04545 144.7
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

No patent data available for this compound.